KEGG   DRUG: PralatrexateHelp
Entry
D05589                      Drug                                   

Name
Pralatrexate (JAN/USAN/INN);
10-Propargyl-10-deazaaminopterin;
Folotyn (TN)
Product
Formula
C23H23N7O5
Exact mass
477.1761
Mol weight
477.4726
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Class
Antineoplastic
 DG01930  Dihydrofolate reductase inhibitor, antineoplastic
 DG01978  Folic acid analog
  DG01930  Dihydrofolate reductase inhibitor, antineoplastic
 DG02018  Antimetabolite
  DG01978  Folic acid analog
   DG01930  Dihydrofolate reductase inhibitor, antineoplastic
Remark
Therapeutic category: 4229
ATC code: L01BA05
Product: D05589<JP/US>
Efficacy
Antineoplastic, Antimetabolite
  Disease
Peripheral T-cell lymphoma [DS:H01892]
Comment
Pralatrexate has high affinity for reduced folate carrier 1 (RFC-1) [HSA:6573] [KO:K14609]
Treatment of malignancies
Target
DHFR [HSA:1719 200895] [KO:K00287]
  Pathway
hsa00670  One carbon pool by folate
hsa00790  Folate biosynthesis
Interaction
Drug interaction
Other map
map01523  Antifolate resistance
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01B ANTIMETABOLITES
    L01BA Folic acid analogues
     L01BA05 Pralatrexate
      D05589  Pralatrexate (JAN/USAN/INN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   422  Antimetabolites
    4229  Others
     D05589  Pralatrexate (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Enzymes
  Oxidoreductases (EC1)
   Dihydrofolate reductase
    DHFR
     D05589  Pralatrexate (JAN/USAN/INN) <JP/US>
Antineoplastics [br08340.html]
 D05589
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D05589
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D05589
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D05589
BRITE hierarchy
Other DBs
CAS: 146464-95-1
PubChem: 47207252
ChEBI: 71223
ChEMBL: CHEMBL1201746
LigandBox: D05589
NIKKAJI: J557.257F
LinkDB All DBs
KCF data Show

ATOM        35
            1   C8y C    25.6200  -15.8200
            2   C8y C    25.6200  -14.4200
            3   N5x N    26.8800  -16.5200
            4   C8y C    24.4300  -16.5200
            5   N5x N    26.8800  -13.7200
            6   N5x N    24.4300  -13.7200
            7   C8y C    28.1400  -15.8200
            8   N5x N    23.2400  -15.8200
            9   N1a N    24.4300  -17.9200
            10  C8x C    28.1400  -14.4200
            11  C8y C    23.2400  -14.4200
            12  C1b C    29.3300  -16.5200
            13  N1a N    21.9800  -13.7200
            14  C1c C    30.5200  -15.8200
            15  C8y C    31.7100  -16.5200
            16  C1b C    30.5200  -14.4200
            17  C3b C    31.7100  -13.7200
            18  C3a C    32.9700  -13.0200
            19  C8x C    31.6986  -17.9200
            20  C8x C    32.9053  -18.6298
            21  C8y C    34.1934  -17.9397
            22  C8x C    34.1348  -16.5397
            23  C8x C    32.9281  -15.8299
            24  C5a C    35.3757  -18.6143
            25  N1b N    36.5628  -17.9207
            26  O5a O    35.3830  -20.0196
            27  C1c C    37.7612  -18.6045
            28  C1b C    38.9401  -17.9159
            29  C1b C    40.1426  -18.6022
            30  C6a C    41.3194  -17.9148
            31  C6a C    37.7688  -20.0195
            32  O6a O    39.0085  -20.7268
            33  O6a O    36.5833  -20.7125
            34  O6a O    42.5228  -18.6017
            35  O6a O    41.3124  -16.5201
BOND        37
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     4   8 2
            8     4   9 1
            9     5  10 2
            10    6  11 2
            11    7  12 1
            12   11  13 1
            13   12  14 1
            14   14  15 1
            15    7  10 1
            16    8  11 1
            17   14  16 1
            18   16  17 1
            19   17  18 3
            20   15  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   15  23 1
            26   21  24 1
            27   24  25 1
            28   24  26 2
            29   25  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   27  31 1 #Up
            34   31  32 1
            35   31  33 2
            36   30  34 1
            37   30  35 2

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